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Publications in Theoretical Chemistry

pH-Dependent Silica Nanoparticle Dissolution and Cargo Release

Colloids and Surfaces B: Biointerfaces
SurfacesColloidInterfacesTheoretical ChemistryMedicineBiotechnologySurface ChemistryPhysical
2018English

Fundamental Reaction Pathway for Peptide Metabolism by Proteasome: Insights From First-Principles Quantum Mechanical/Molecular Mechanical Free Energy Calculations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Impact of Distant Charge Reversals Within a Robust Β-Barrel Protein Pore

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

On the Factors Affecting Product Distribution in Laccase-Catalyzed Oxidation of a Lignin Model Compound Vanillyl Alcohol: Experimental and Computational Evaluation

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2013English

Biosynthesis of Isoxazolin-5-One and 3-Nitropropanoic Acid Containing Glucosides in Juvenile Chrysomelina

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Thermal Dissociation Behavior and Dissociation Enthalpies of Methane–Carbon Dioxide Mixed Hydrates

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2011English

Correction: Multivalent Presentation of Carbohydrates by 314-Helical Peptide Templates: Synthesis, Conformational Analysis Using CD Spectroscopy and Saccharide Recognition

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Stereoselective Deconjugation of Macrocyclic Α,β-Unsaturated Esters by Sequential Amidation and Olefin Transposition: Application to Enantioselective Phase Transfer Catalysis

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2019English

Correction: One-Pot Synthesis of Carbazoles via Tandem C–C Cross-Coupling and Reductive Amination

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Selective Sensing of Pyrophosphate in Physiological Media Using Zinc(ii)dipicolylamino-Functionalised Peptides

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2015English

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